| Entry |
|
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| Name |
Zoledronic acid hemipentahydrate (JAN) |
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| Formula |
(C5H10N2O7P2)2. 5H2O
|
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| Exact mass |
634.0455
|
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| Mol weight |
634.2556
|
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| Structure |
|
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| Class |
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
|
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| Remark |
| Product (DG00787): | D01968<JP/US> |
|
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| Efficacy |
Antiresorptive, Farnesylpyrophosphate synthetase inhibitor |
|---|
| Comment |
Bisphosphonate
|
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| Target |
|
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| Pathway |
| hsa00900 | Terpenoid backbone biosynthesis |
|
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M05 DRUGS FOR TREATMENT OF BONE DISEASES
M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
M05BA Bisphosphonates
M05BA08 Zoledronic acid
D10515 Zoledronic acid hemipentahydrate (JAN)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
DG00787 Zoledronic acid
D10515 Zoledronic acid hemipentahydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Alkyl/Aryl transferases
FDPS
D10515 Zoledronic acid hemipentahydrate (JAN)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
DG00787 Zoledronic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C1d C 20.6500 -17.6400
2 P1b P 21.9100 -18.2700
3 P1b P 19.5300 -18.2700
4 C1b C 20.6500 -16.3100
5 O1c O 18.3400 -17.6400
6 O1c O 19.5300 -19.6700
7 O1c O 17.9900 -19.2500
8 O1c O 23.0300 -17.6400
9 O1c O 21.9100 -19.6700
10 O1c O 23.0300 -18.9700
11 O1a O 20.6500 -19.0400
12 N4y N 21.8400 -15.6100
13 C8x C 23.1700 -16.0300
14 N5x N 24.0100 -14.9100
15 C8x C 23.1700 -13.7900
16 C8x C 21.8400 -14.2100
17 O0 O 30.4500 -18.2000
18 C1d C 20.6500 -17.6400
19 P1b P 21.9100 -18.2700
20 O1c O 23.0300 -17.6400
21 O1c O 21.9100 -19.6700
22 O1c O 23.0300 -18.9700
23 P1b P 19.5300 -18.2700
24 O1c O 18.3400 -17.6400
25 O1c O 19.5300 -19.6700
26 O1c O 17.9900 -19.2500
27 C1b C 20.6500 -16.3100
28 N4y N 21.8400 -15.6100
29 C8x C 23.1700 -16.0300
30 N5x N 24.0100 -14.9100
31 C8x C 23.1700 -13.7900
32 C8x C 21.8400 -14.2100
33 O1a O 20.6500 -19.0400
34 O0 O 30.4500 -18.2000
35 O0 O 30.4500 -18.2000
36 O0 O 30.4500 -18.2000
37 O0 O 30.4500 -18.2000
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 3 5 2
5 3 6 1
6 3 7 1
7 2 8 2
8 2 9 1
9 2 10 1
10 1 11 1
11 4 12 1
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 12 16 1
17 18 19 1
18 18 23 1
19 18 27 1
20 23 24 2
21 23 25 1
22 23 26 1
23 19 20 2
24 19 21 1
25 19 22 1
26 18 33 1
27 27 28 1
28 28 29 1
29 29 30 2
30 30 31 1
31 31 32 2
32 28 32 1
BRACKET 1 15.5400 -20.9300 15.5400 -12.6700
1 24.7100 -12.6700 24.7100 -20.9300
1 2
ORIGINAL 1 1 2 8 9 10 3 5 6 7 4 12 13 14 15 16 11
REPEAT 1 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33
2 28.2100 -18.9700 28.2100 -17.2200
2 31.1500 -17.2200 31.1500 -18.9700
2 5
ORIGINAL 2 17
REPEAT 2 34 35 36 37
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